Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50003920 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477498
(CHEMBL245504)Show InChI InChI=1S/C18H16O5/c1-10(2)14-9-13(3-5-15(14)19)22-12-4-6-16-11(7-12)8-17(23-16)18(20)21/h3-10,19H,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477499
(CHEMBL247912)Show SMILES OC(=O)c1cc2c(Br)c(Oc3ccc(O)c(c3)C(=O)c3ccc(F)cc3)c(Br)cc2o1 Show InChI InChI=1S/C22H11Br2FO6/c23-15-9-17-14(8-18(31-17)22(28)29)19(24)21(15)30-12-5-6-16(26)13(7-12)20(27)10-1-3-11(25)4-2-10/h1-9,26H,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 210 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477500
(CHEMBL248314)Show InChI InChI=1S/C20H20O5/c1-10(2)14-8-13(5-6-16(14)21)24-19-11(3)7-17-15(12(19)4)9-18(25-17)20(22)23/h5-10,21H,1-4H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477501
(CHEMBL245462)Show SMILES CC(C)c1cc(Oc2c(cc(CC3SC(=O)NC3=O)cc2C(C)C)C(C)C)ccc1O Show InChI InChI=1S/C25H31NO4S/c1-13(2)18-12-17(7-8-21(18)27)30-23-19(14(3)4)9-16(10-20(23)15(5)6)11-22-24(28)26-25(29)31-22/h7-10,12-15,22,27H,11H2,1-6H3,(H,26,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477502
(CHEMBL247913)Show SMILES OC(c1ccc(F)cc1)c1cc(Oc2c(Br)cc3oc(cc3c2Br)C(O)=O)ccc1O Show InChI InChI=1S/C22H13Br2FO6/c23-15-9-17-14(8-18(31-17)22(28)29)19(24)21(15)30-12-5-6-16(26)13(7-12)20(27)10-1-3-11(25)4-2-10/h1-9,20,26-27H,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477509
(CHEMBL395954)Show SMILES CC(C)c1cc(Oc2c(Br)cc3oc(cc3c2Br)C(O)=O)ccc1O Show InChI InChI=1S/C18H14Br2O5/c1-8(2)10-5-9(3-4-13(10)21)24-17-12(19)7-14-11(16(17)20)6-15(25-14)18(22)23/h3-8,21H,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477504
(CHEMBL393914)Show InChI InChI=1S/C18H16O5/c1-10-7-15-12(8-16(20)21)9-22-18(15)11(2)17(10)23-14-5-3-13(19)4-6-14/h3-7,9,19H,8H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477505
(CHEMBL248515)Show SMILES CC(C)c1cc(Oc2c(C)cc3c(CC(O)=O)coc3c2C)ccc1O Show InChI InChI=1S/C21H22O5/c1-11(2)16-9-15(5-6-18(16)22)26-20-12(3)7-17-14(8-19(23)24)10-25-21(17)13(20)4/h5-7,9-11,22H,8H2,1-4H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477506
(CHEMBL392666)Show SMILES CC(C)c1cc(Oc2c(C)ccc(CC3CC(=O)NC(=O)S3)c2C)ccc1O Show InChI InChI=1S/C22H25NO4S/c1-12(2)18-10-16(7-8-19(18)24)27-21-13(3)5-6-15(14(21)4)9-17-11-20(25)23-22(26)28-17/h5-8,10,12,17,24H,9,11H2,1-4H3,(H,23,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477507
(CHEMBL248111)Show SMILES CC(C)c1cc(Oc2c(C)cc(CC3SC(=O)NC3=O)cc2C)ccc1O Show InChI InChI=1S/C21H23NO4S/c1-11(2)16-10-15(5-6-17(16)23)26-19-12(3)7-14(8-13(19)4)9-18-20(24)22-21(25)27-18/h5-8,10-11,18,23H,9H2,1-4H3,(H,22,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477508
(CHEMBL248315)Show SMILES CC(C)c1cc(Oc2c(C)cc3OC(CC(O)=O)Cc3c2C)ccc1O Show InChI InChI=1S/C21H24O5/c1-11(2)16-8-14(5-6-18(16)22)26-21-12(3)7-19-17(13(21)4)9-15(25-19)10-20(23)24/h5-8,11,15,22H,9-10H2,1-4H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
Thyroid hormone receptor alpha/beta
(Homo sapiens (Human)) | BDBM50477503
(CHEMBL245508)Show SMILES COc1ccc(Oc2c(Br)cc3oc(cc3c2Br)C(O)=O)cc1C(C)C Show InChI InChI=1S/C19H16Br2O5/c1-9(2)11-6-10(4-5-14(11)24-3)25-18-13(20)8-15-12(17(18)21)7-16(26-15)19(22)23/h4-9H,1-3H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description
Agonist activity at THR in HepG2 cells by whole cell assay |
Bioorg Med Chem Lett 17: 3992-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.085
BindingDB Entry DOI: 10.7270/Q2251N06 |
More data for this
Ligand-Target Pair | |
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